SCHEMBL16585271

SCHEMBL16585271

O=C(O)[C@H]1CC1c1c(F)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 1/20 0.50
FFAR1 O14842 4/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17985242 1.00 MEN1 (0.50) MEN1KMT2AMAPK1FFAR1CYP2C8
SCHEMBL16585100 1.00 MEN1 (0.50) MEN1KMT2AMAPK1FFAR1CYP2C8
SCHEMBL15938458 0.88 FFAR1 (0.45) MEN1KMT2AFFAR1ALDH1A1CYP2C19
SCHEMBL1586523 0.86 MEN1 (0.52) MEN1KMT2AMAPK1CYP2C9GAA
SCHEMBL26186810 0.81 FFAR1 (0.40) MEN1KMT2AFFAR1CYP2C8CYP2C9
SCHEMBL30636963 0.81 FFAR1 (0.47) FFAR1CYP2C8CYP2C9
SCHEMBL26186802 0.81 FFAR1 (0.47) FFAR1CYP2C8CYP2C9
SCHEMBL24737344 0.79 SLC9A1 (0.47) KMT2AFFAR1CYP2C8CYP2C9ALDH1A1
SCHEMBL15542248 0.79 SLC9A1 (0.47) KMT2AFFAR1CYP2C8CYP2C9ALDH1A1
SCHEMBL29302270 0.79 SLC9A1 (0.47) KMT2AFFAR1CYP2C8CYP2C9ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255840-A1 HIGH YIELD ROUTE FOR THE PRODUCTION OF 1, 6-HEXANEDIOL ZYMOCHEM INC (US) 2020-08-13 US disclosed
US-20170044551-A1 HIGH YIELD ROUTE FOR THE PRODUCTION OF COMPOUNDS FROM RENEWABLE SOURCES ZYMOCHEM INC. 2017-02-16 US disclosed
EP-3047030-A2 A HIGH YIELD ROUTE FOR THE PRODUCTION OF COMPOUNDS FROM RENEWABLE SOURCES Zymochem Inc. (US) 2016-07-27 EP disclosed
WO-2015042201-A2 A HIGH YIELD ROUTE FOR THE PRODUCTION OF COMPOUNDS FROM RENEWABLE SOURCES ZYMOCHEM INC. (US) 2015-03-26 WO disclosed